Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 6/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.53 |
| ▸ | SCN5A | Q14524 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.53 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7376233 | 0.94 | ABCB11 (0.46) | CYP2C9CYP3A4CYP1A2ABCB11CYP2C19 | |
| SCHEMBL7389402 | 0.93 | ABCB11 (0.53) | CYP2C9CYP3A4CYP1A2ABCB11CYP2C19 | |
| SCHEMBL7383858 | 0.92 | KDM4E (0.57) | CYP2C9CYP3A4CYP1A2ABCB11CYP2C19 | |
| SCHEMBL7381885 | 0.89 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP1A2ABCB11CYP2C19 | |
| SCHEMBL7384338 | 0.88 | KDM4E (0.53) | CYP2C9CYP3A4CYP1A2ABCB11CYP2C19 | |
| SCHEMBL7386329 | 0.88 | CYP2C9 (0.55) | CYP2C9CYP3A4CYP1A2ABCB11CYP2C19 | |
| SCHEMBL7380654 | 0.88 | CYP2C9 (0.55) | CYP2C9CYP3A4CYP1A2ABCB11CYP2C19 | |
| SCHEMBL7383940 | 0.87 | ABCB11 (0.46) | CYP2C9CYP3A4CYP1A2ABCB11CYP2C19 | |
| SCHEMBL7381706 | 0.86 | KDM4E (0.48) | CYP2C9CYP3A4CYP1A2ABCB11CYP2C19 | |
| SCHEMBL7383854 | 0.85 | CYP2C9 (0.55) | CYP2C9CYP3A4CYP1A2ABCB11CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4889866-A | CARDIOVASCULAR DISEASES, HYPOTENSIVE AGENTS, CONGESTIVE HEART FAILURE | SYNTEX (U.S.A.) INC. (US) | 1989-12-26 | — | — | US | disclosed |